bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride

C44H60ClN11O12 — CID 158593652

IUPACbis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)ONC(=O)c1cc(N2CCOCC2)ccn1.Cl.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C14H21N3O3.2C10H13N3O3.C10H12N2O3.ClH/c1-14(2,3)20-16-13(18)12-10-11(4-5-15-12)17-6-8-19-9-7-17;2*14-10(12-15)9-7-8(1-2-11-9)13-3-5-16-6-4-13;13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h4-5,10H,6-9H2,1-3H3,(H,16,18);2*1-2,7,15H,3-6H2,(H,12,14);1-2,7H,3-6H2,(H,13,14);1H
InChIKeyXVQJETZCEHNDSG-UHFFFAOYSA-N
MW970.48 g/mol
LogP2.49
Rot. Bonds9

About bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride

bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 158593652) has the molecular formula C44H60ClN11O12 and a molecular weight of 970.48 g/mol. Its IUPAC name is bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namebis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
PubChem CID158593652
Molecular FormulaC44H60ClN11O12
Molecular Weight970.48 g/mol
Exact Mass969.41
IUPAC Namebis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)ONC(=O)c1cc(N2CCOCC2)ccn1.Cl.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C14H21N3O3.2C10H13N3O3.C10H12N2O3.ClH/c1-14(2,3)20-16-13(18)12-10-11(4-5-15-12)17-6-8-19-9-7-17;2*14-10(12-15)9-7-8(1-2-11-9)13-3-5-16-6-4-13;13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h4-5,10H,6-9H2,1-3H3,(H,16,18);2*1-2,7,15H,3-6H2,(H,12,14);1-2,7H,3-6H2,(H,13,14);1H
InChIKeyXVQJETZCEHNDSG-UHFFFAOYSA-N
XLogP2.49
TPSA275.73 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.48
LogP ≤ 52.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-Piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate
CID 71523626
Ethyl 4-[2-[2-[2-[bis(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 134541137
4-[2-[2-[2-[Bis(5-carboxy-3-pyridinyl)amino]ethyl-(5-carboxy-3-pyridinyl)amino]ethyl-(5-carboxy-3-pyridinyl)amino]ethyl-(5-carboxy-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 134541196
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
bis(N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-[benzyl(methyl)amino]pyridine-2-carboxylate;methyl 4-bromopyridine-2-carboxylate
CID 158490187
bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate
CID 158702726
4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine
CID 159384885
4-Bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;tert-butyl 4-(oxan-4-ylamino)pyridine-2-carboxylate;oxan-4-amine;4-(oxan-4-ylamino)pyridine-2-carboxylic acid
CID 159483151
N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide;4-[benzyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-[benzyl(methyl)amino]pyridine-2-carboxylate;methyl 4-bromopyridine-2-carboxylate
CID 159783155
bis(4-(benzylamino)-N-hydroxypyridine-2-carboxamide);4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
CID 160205499
tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 160544166
1-Azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;bis(3-methylpyridine);tris(4-methylpyridine);pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid
CID 160754568

Frequently Asked Questions

What is the IUPAC name of bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride (CID 158593652) is bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride is CC(C)(C)ONC(=O)c1cc(N2CCOCC2)ccn1.Cl.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(NO)c1cc(N2CCOCC2)ccn1.O=C(O)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is XVQJETZCEHNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.2C10H13N3O3.C10H12N2O3.ClH/c1-14(2,3)20-16-13(18)12-10-11(4-5-15-12)17-6-8-19-9-7-17;2*14-10(12-15)9-7-8(1-2-11-9)13-3-5-16-6-4-13;13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h4-5,10H,6-9H2,1-3H3,(H,16,18);2*1-2,7,15H,3-6H2,(H,12,14);1-2,7H,3-6H2,(H,13,14);1H.
What are the key properties of bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 970.48 g/mol, XLogP of 2.49, 9 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide);N-[(2-methylpropan-2-yl)oxy]-4-morpholin-4-ylpyridine-2-carboxamide;4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).